Hexanoic acid, 2-hexenyl ester, (E)-
- Formula: C12H22O2
- Molecular weight: 198.3019
- IUPAC Standard InChI: InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
- IUPAC Standard InChIKey: UQPLEMTXCSYMEK-VQHVLOKHSA-N
- CAS Registry Number: 53398-86-0
- Chemical structure:
This structure is also available as a 2d Mol file - Isotopologues:
- Stereoisomers:
- Other names: trans-2-Hexenyl caproate; trans-2-Hexenyl hexanoate; trans-2-Hexenyl n-hexanoate; (2E)-2-Hexenyl hexanoate; (E)-2-Hexenyl hexanoate; (E)-2-Hexenyl n-hexanoate; (E)hex-2-enyl hexanoate
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | CP Sil 5 CB | HP-5 |
| Column length (m) | 50. | 30. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | 0.4 | 0.25 |
| Tstart (C) | 60. | 40. |
| Tend (C) | 280. | 280. |
| Heat rate (K/min) | 3. | 3. |
| Initial hold (min) | 10. | 4. |
| Final hold (min) | 60. | |
| I | 1370. | 1391. |
| Reference | Pino and Marbot, 2001 | Ruther, 2000 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pino and Marbot, 2001
Pino, J.A.; Marbot, R.,
Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g
. [all data]
Ruther, 2000
Ruther, J.,
Retention index database for identification of general green leaf volatiles in plants coupled capillary gas chromatography-mass spectrometry,
J. Chromatogr. A, 2000, 890, 2, 313-319, https://doi.org/10.1016/S0021-9673(00)00618-X
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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